Materials Data on CeGa6Ni by Materials Project

doi:10.17188/1681652

Title: Materials Data on CeGa6Ni by Materials Project

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Abstract

CeNiGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.24–3.43 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.39 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.65 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.65 Å. In the fourth Gamore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190078

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; CeGa6Ni; Ce-Ga-Ni

OSTI Identifier:: 1681652

DOI:: https://doi.org/10.17188/1681652

Citation Formats


                    The Materials Project. Materials Data on CeGa6Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681652.

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                    The Materials Project. Materials Data on CeGa6Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1681652

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                    The Materials Project. 2020.  
"Materials Data on CeGa6Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1681652.  https://www.osti.gov/servlets/purl/1681652. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681652,

  title        = {Materials Data on CeGa6Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeNiGa6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.24–3.43 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.39 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.65 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.65 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. There are two shorter (2.61 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. Both Ga–Ce bond lengths are 3.41 Å. Both Ga–Ga bond lengths are 2.61 Å. In the sixth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. All Ga–Ga bond lengths are 2.59 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.62 Å.},

  doi          = {10.17188/1681652},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681652

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